2-amino-3,6-dimethylbenzonitrile

2-amino-3,6-dimethylbenzonitrile

CAS: 90557-26-9

Formula: C9H10N2

SMILES: CC1=CC=C(C)C(C#N)=C1N

IUPAC: 2-amino-3,6-dimethylbenzonitrile

InChI: InChI=1S/C9H10N2/c1-6-3-4-7(2)9(11)8(6)5-10/h3-4H,11H2,1-2H3

Composition: C (73.94%), H (6.89%), N (19.16%)

Molar Mass: 146.193

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	146.08439833
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CGNLDKGRHWONKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.56
Topological Polar Surface Area	49.81
Polarizability	16.83
Ring Count	1
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	90557-26-9		$201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70